7,9-dimethyl-3-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Chemical Structure Depiction of
7,9-dimethyl-3-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
7,9-dimethyl-3-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
Compound characteristics
Compound ID: | D148-0064 |
Compound Name: | 7,9-dimethyl-3-(3-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one |
Molecular Weight: | 353.36 |
Molecular Formula: | C16 H11 N5 O3 S |
Smiles: | Cc1cc(C)nc2c1c1c(C(N(c3cccc(c3)[N+]([O-])=O)N=N1)=O)s2 |
Stereo: | ACHIRAL |
logP: | 3.8549 |
logD: | 3.8549 |
logSw: | -4.1529 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 80.17 |
InChI Key: | KJPCRJYYLHPLRJ-UHFFFAOYSA-N |